化工社化工社 化学情報印刷レポート · 研究参考用
ベンダムスチン
4-[1-メチル-5-[ビス(2-クロロエチル)アミノ]-1H-ベンゾイミダゾール-2-イル]酪酸 · ベンダムスチン · 5-[ビス(2-クロロエチル)アミノ]-1-メチル-1H-ベンゾイミダゾール-2-ブタン酸 · 4-[5-[ビス(2-クロロエチル)アミノ]-1-メチル-1H-ベンゾイミダゾール-2-イル]酪酸 · 4-{5-[ビス(2-クロロエチル)アミノ]-1-メチル-1H-1,3-ベンゾジアゾール-2-イル}ブタン酸 · 4-(5-(bis(2-chloroethyl)aMino)-1-Methyl-1H-benzo[d]iMidazol-2-yl)butanoic acid · Bendamustine · 4-(5-(Bis(2-chloroethyl)
識別子と物理属性
| CAS No. | 16506-27-7 |
|---|---|
| 分子式 | C16H21Cl2N3O2 |
| 平均分子量 | 358.3 g/mol |
| 単同位体質量 | 357.10108227 g/mol |
| SMILES | Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21 |
| InChIKey | YTKUWDBFDASYHO-UHFFFAOYSA-N |
| PubChem CID | 65628 |
| ChEMBL | CHEMBL487253 |
| ChEBI | CHEBI:135515 |
| EC No. | 680-659-4 |
| DTXSID | DTXSID2046888 |
| 現地名 | ベンダムスチン |
化学・物理的性質
| XLogP | 2.9 |
|---|---|
| 極性表面積 | 58.4 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 9 |
| 重原子数 | 23 |
| 形式電荷 | 0 |
| 複雑度 | 380 |
| 医薬品 | Pharmaceuticals -> Listed in ZINC15 |
| LogP（分配係数） | 0.44 |
| Human Drugs | Breast FeedingLactationAntineoplastic Agents, AlkylatingNitrosourea CompoundsCytotoxic medicines |
| Other Experimental Properties | MW: 394.7 ... supplied as a sterile non-pyrogenic white to off-white powder. /Bandamustine hydrochloride/ |
| 沸点 | 585.2±50.0 °C(Predicted) |
| 密度 | 1.31±0.1 g/cm3(Predicted) |
| 貯蔵条件 | -20°C, protect from light |
| 溶解度 | DMSO : 100 mg/mL (279.13 mMNeed ultrasonic) |
| pKa（酸解離定数） | 4.50±0.10(Predicted) |
| 外観・状態 | Solid |
| 色 | White to off-white |
| ヘンリー定数 | 2.5×107 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23) |
| InChIKey | YTKUWDBFDASYHO-UHFFFAOYSA-N |
| SMILES | C1(CCCC(O)=O)N(C)C2=CC=C(N(CCCl)CCCl)C=C2N=1 |
安全性と法規制
| GHS 分類 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| FDA 要件 | The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl bendamustine hydrochloride, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Bendamustine hydrochloride/ |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Shipment Methods and Regulations | /PRECAUTIONS FOR ANTINEOPLASTIC AGENTS:/ Methods for transporting hazardous drugs to the health-care setting should be consistent with environmental protection and national or local regulations for transporting hazardous substances. When hazardous drugs are being transported to the home-care setting, appropriate containers (eg, lined cardboard boxes) and procedures should be used to prevent breakage and contain leakage. ... The drugs must be securely capped or sealed and properly packaged and protected during transport to reduce further the chance of breakage and spillage in a public area such as a corridor or elevator. /Antineoplastic agents/ |
| 清掃方法 | /PRECAUTIONS FOR ANTINEOPLASTIC AGENTS:/ Spill kits containing all materials needed to clean up spills of hazardous drugs should be assembled or purchased. These kits should be readily available in all areas where hazardous drugs are routinely handled. If hazardous drugs are being prepared or administered in a nonroutine area (home setting or unusual patient-care area), a spill kit should be obtained by the drug handler. The kit should include two pairs of disposable gloves (one outer pair of utility gloves and one inner latex pair)low-permeability, disposable protective garments (coveralls or gown and shoe covers)safety glasses or splash gogglesrespiratorabsorbent, plastic-backed sheets or spill padsdisposable towelingat least 2 sealable thick plastic hazardous waste disposal bags (prelabeled with an appropriate warning label)a disposable scoop for collecting glass fragmentsand a puncture-resistant container for glass fragments. All individuals who routinely handle hazardous drugs must be trained in proper spill management and cleanup procedures. Spills and breakages must be cleaned up immediately according to the following procedures. If the spill is not located in a confined space, the spill area should be identified and other people should be prevented from approaching and spreading the contamination. Wearing protective apparel from the spill kit, workers should remove any broken glass fragments and place them in the puncture-resistant container. Liquids should be absorbed with a spill pad |
用途
使用
Treatment of hematologic cancer, especially non-Hodgkin’s lymphoma.